2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one

C8H14N2O2 — CID 43084683

IUPAC2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(CCO)C(=O)C1
InChIInChI=1S/C8H14N2O2/c1-2-3-7-6-8(12)10(9-7)4-5-11/h11H,2-6H2,1H3
InChIKeyOREMYQWVPYZGSP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.37
Rot. Bonds4

About 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one

2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one (PubChem CID 43084683) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one
PubChem CID43084683
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(CCO)C(=O)C1
InChIInChI=1S/C8H14N2O2/c1-2-3-7-6-8(12)10(9-7)4-5-11/h11H,2-6H2,1H3
InChIKeyOREMYQWVPYZGSP-UHFFFAOYSA-N
XLogP0.37
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one (CID 43084683) is 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one is CCCC1=NN(CCO)C(=O)C1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one?
The InChIKey is OREMYQWVPYZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-7-6-8(12)10(9-7)4-5-11/h11H,2-6H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one?
2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-propyl-4H-pyrazol-3-one is sourced from PubChem (CID 43084683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).